BDBM50315076 1-(4-(4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-6-((R)-3-methylmorpholino)-1,3,5-triazin-2-yl)phenyl)-3-(4-(4-(dimethylamino)piperidin-1-yl)phenyl)urea::CHEMBL1091712
SMILES: C[C@@H]1COCCN1c1nc(nc(n1)-c1ccc(NC(=O)Nc2ccc(cc2)N2CCC(CC2)N(C)C)cc1)N1C2CCC1COC2
InChI Key: InChIKey=YKVNJQGTRMCVSV-YJIDBOMVSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50315076 Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50315076
(1-(4-(4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-6-((...)Show SMILES C[C@@H]1COCCN1c1nc(nc(n1)-c1ccc(NC(=O)Nc2ccc(cc2)N2CCC(CC2)N(C)C)cc1)N1C2CCC1COC2 |r| Show InChI InChI=1S/C34H45N9O3/c1-23-20-45-19-18-42(23)32-37-31(38-33(39-32)43-29-12-13-30(43)22-46-21-29)24-4-6-25(7-5-24)35-34(44)36-26-8-10-28(11-9-26)41-16-14-27(15-17-41)40(2)3/h4-11,23,27,29-30H,12-22H2,1-3H3,(H2,35,36,44)/t23-,29?,30?/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 443 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of PI3Kalpha after 15 to 30 mins by fluorescence polarization assay |
Bioorg Med Chem Lett 20: 2648-53 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.031 BindingDB Entry DOI: 10.7270/Q2DZ08GK |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50315076
(1-(4-(4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-6-((...)Show SMILES C[C@@H]1COCCN1c1nc(nc(n1)-c1ccc(NC(=O)Nc2ccc(cc2)N2CCC(CC2)N(C)C)cc1)N1C2CCC1COC2 |r| Show InChI InChI=1S/C34H45N9O3/c1-23-20-45-19-18-42(23)32-37-31(38-33(39-32)43-29-12-13-30(43)22-46-21-29)24-4-6-25(7-5-24)35-34(44)36-26-8-10-28(11-9-26)41-16-14-27(15-17-41)40(2)3/h4-11,23,27,29-30H,12-22H2,1-3H3,(H2,35,36,44)/t23-,29?,30?/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of mTOR |
Bioorg Med Chem Lett 20: 2648-53 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.031 BindingDB Entry DOI: 10.7270/Q2DZ08GK |
More data for this Ligand-Target Pair | |